이름: 3-[3,5-dibromo-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]propanoic acid
SMILES:
CC(C)C1=CC(=NN=C1Cl)OC2=C(C=C(C=C2Br)CCC(=O)O)BrMolecular Processing
Molecular formula
C16H15Br2ClN2O3
Molecular weight
478.57
Exact mass
475.9138
XLogP
5.59
TPSA
72.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
99
Supplementary Information
InChIKey: XRYIMTNJLGMKDT-UHFFFAOYSA-N
동의어
SCHEMBL2926996XRYIMTNJLGMKDT-UHFFFAOYSA-N3-[3,5-dibromo-4-(6-chloro-5-isopropyl-pyridazin-3-yloxy)-phenyl]-propionic acid
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